iterations/neb0_image06_iter61_CONTCAR output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
No title
1.00000000000000
30.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 20.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 15.0000000000000000
C Si O N H
6 10 8 6 42
Direct
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0.4169831600000009 0.3878353099999998 0.5290144000000012
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0.6459486500000011 0.6442092099999996 0.5539170300000009
0.6902464100000003 0.6328242900000021 0.4754127100000005
0.6079222299999998 0.6233145500000035 0.3067847000000015
0.5688873000000001 0.5904453699999976 0.5905971899999969
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0.5382504600000004 0.6173073599999981 0.4925082299999985
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0.6876486999999969 0.8069576400000003 0.4987425200000004
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0.5258904299999969 0.2895480800000030 0.3927397799999994
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0.6111736499999978 0.2198034299999989 0.3600364200000001
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